1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine

C15H16Cl2N2 — CID 79780808

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-4-3-5-11(6-10)7-14(18-2)15-13(17)8-12(16)9-19-15/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyCMUVSVWYXVMVAI-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.20
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 79780808) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID79780808
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-4-3-5-11(6-10)7-14(18-2)15-13(17)8-12(16)9-19-15/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyCMUVSVWYXVMVAI-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79780724
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 105208981
[1-(3,5-dichloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105248726
[2-(3,4-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
CID 105248609
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
CID 79779895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 79780808) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is CMUVSVWYXVMVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10-4-3-5-11(6-10)7-14(18-2)15-13(17)8-12(16)9-19-15/h3-6,8-9,14,18H,7H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79780808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).